Crystallography Open Database

Information card for entry 7015847

Preview

Coordinates	7015847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H87 Mn6 N6 O27.5 Tb2
Calculated formula	C67 H87 Mn6 N6 O27.5 Tb2
Title of publication	Enhancing U(eff) in oxime-bridged [Mn(III)6Ln(III)2] hexagonal prisms.
Authors of publication	Rigaux, Guillaume; Inglis, Ross; Morrison, Susan; Prescimone, Alessandro; Cadiou, Cyril; Evangelisti, Marco; Brechin, Euan K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	18
Pages of publication	4797 - 4799
a	12.7152 ± 0.0003 Å
b	25.61 ± 0.0009 Å
c	23.8804 ± 0.0007 Å
α	90°
β	92.941 ± 0.003°
γ	90°
Cell volume	7766.1 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for all reflections	0.0637
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.0007
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7015847.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015847.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015847.cif
21363	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015845, 7015846, 7015847 via cif-deposit CGI script.	7015847.cif